SCHEMBL2913989

SCHEMBL2913989

O=C(CCN1CCCCC1)Nc1[nH]nc2c1CN(CCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
APP P05067 2/20 0.48
BCHE P06276 2/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
PARP1 P09874 2/20 0.44
MAPT P10636 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 1/20 0.43
TERT O14746 1/20 0.42
HTR6 P50406 1/20 0.42
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2913011 0.91 ACHE (0.56) ACHEALDH1A1POLBAPPBCHE
SCHEMBL2922904 0.85 HTR1A (0.49) ACHEALDH1A1APPBCHESIGMAR1
SCHEMBL2917429 0.85 PARP1 (0.43) ACHEALDH1A1APPBCHEKMT2A
SCHEMBL2922781 0.85 ACHE (0.51) ACHEALDH1A1POLBAPPBCHE
SCHEMBL2922736 0.83 ACHE (0.49) ACHEALDH1A1POLBAPPBCHE
SCHEMBL2922079 0.83 ALDH1A1 (0.58) ACHEALDH1A1POLBKMT2ALMNA
SCHEMBL2913982 0.82 CCNA2 (0.51) ACHEALDH1A1POLBAPPBCHE
SCHEMBL2917113 0.82 KMT2A (0.46) KMT2AMEN1
SCHEMBL2923206 0.82 ABCB1 (0.46) ACHEPOLBKMT2ALMNAPARP1
SCHEMBL2925654 0.82 OPRM1 (0.44) ACHEALDH1A1POLBAPPBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ACHE 4788/4885ALDH1A1 4090/4885POLB 1334/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ACHE 4822/4885ALDH1A1 3455/4885POLB 2264/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ACHE 4788/4885ALDH1A1 4090/4885POLB 1334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.